CID 101042

N,2-diisopropyl-2,3-dimethylbutyramide

Structural Information

Molecular Formula
C12H25NO
SMILES
CC(C)C(C)(C(C)C)C(=O)NC(C)C
InChI
InChI=1S/C12H25NO/c1-8(2)12(7,9(3)4)11(14)13-10(5)6/h8-10H,1-7H3,(H,13,14)
InChIKey
WGRZDAWYLITYAD-UHFFFAOYSA-N
Compound name
2,3-dimethyl-N,2-di(propan-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.19362 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.200896 151.5
[M+Na]+ 222.182838 155.4
[M-H]- 198.186344 151.4
[M+NH4]+ 217.227443 170.7
[M+K]+ 238.156778 155.8
[M+H-H2O]+ 182.190880 146.8
[M+HCOO]- 244.191821 169.4
[M+CH3COO]- 258.207471 194.3
[M+Na-2H]- 220.168286 151.4
[M]+ 199.19307142 151.9
[M]- 199.19416858 151.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.